N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride

C25H20ClN7O — CID 22609849

IUPACN-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride
SMILESCc1nnc(-c2ccc3c(Nc4ccc5c(cnn5Cc5ccccc5)c4)ncnc3c2)o1.Cl
InChIInChI=1S/C25H19N7O.ClH/c1-16-30-31-25(33-16)18-7-9-21-22(12-18)26-15-27-24(21)29-20-8-10-23-19(11-20)13-28-32(23)14-17-5-3-2-4-6-17;/h2-13,15H,14H2,1H3,(H,26,27,29);1H
InChIKeyOSDSHQGTZNROGS-UHFFFAOYSA-N
MW469.94 g/mol
LogP5.55
Rot. Bonds5

About N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride

N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride (PubChem CID 22609849) has the molecular formula C25H20ClN7O and a molecular weight of 469.94 g/mol. Its IUPAC name is N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride
PubChem CID22609849
Molecular FormulaC25H20ClN7O
Molecular Weight469.94 g/mol
Exact Mass469.14
IUPAC NameN-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride
SMILESCc1nnc(-c2ccc3c(Nc4ccc5c(cnn5Cc5ccccc5)c4)ncnc3c2)o1.Cl
InChIInChI=1S/C25H19N7O.ClH/c1-16-30-31-25(33-16)18-7-9-21-22(12-18)26-15-27-24(21)29-20-8-10-23-19(11-20)13-28-32(23)14-17-5-3-2-4-6-17;/h2-13,15H,14H2,1H3,(H,26,27,29);1H
InChIKeyOSDSHQGTZNROGS-UHFFFAOYSA-N
XLogP5.55
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.94
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride (CID 22609849) is N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride is Cc1nnc(-c2ccc3c(Nc4ccc5c(cnn5Cc5ccccc5)c4)ncnc3c2)o1.Cl.
What is the InChIKey of N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is OSDSHQGTZNROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O.ClH/c1-16-30-31-25(33-16)18-7-9-21-22(12-18)26-15-27-24(21)29-20-8-10-23-19(11-20)13-28-32(23)14-17-5-3-2-4-6-17;/h2-13,15H,14H2,1H3,(H,26,27,29);1H.
What are the key properties of N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride?
N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 469.94 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-5-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 22609849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).